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Home> Encyclopedia > Hot Product Listed F   > Fluconazole
86386-73-4 structure

Fluconazole

CAS No.:86386-73-4
Molecular Weight:306.270786
Molecular Formula:C13H12F2N6O (isomer)
Names and Identifiers
Synonyms

1H-1,2,4-Triazole-1-ethanol,R-(2,4-difluorophenyl)- R-(1H-1,2,4-triazol-1-ylmethyl)- 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol Afungil Alflucoz alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol Baten Biocanol Biozolene Canzol Cryptal Diflucan Diflucan (TN) Elazor FCZ FLC FLCZ FLU Flucazol Fluconazol [Spanish] Fluconazole (JAN/USAN) Fluconazolum [Latin] Flucostat Flukezol Flusol Fluzone FLZ Forcan Fungata Mutum Oxifugol Pritenzol Syscan Triflucan UK 49858 Zemyc Zonal

Inchi
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChkey
RFHAOTPXVQNOHP-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Properties
Appearance
white or off white crystalline powder
Density
1.49
Melting Point
138-140℃
Boiling Point
579.8 oC at 760 mmHg
Flash Point
304.4 oC
Solubility
DMSO: 5 mg/mL
Color/Form
White crystalline powder
Crystals from ethyl acetate/hexane
HS Code
2933990090
Storage temp
?20°C
Safety and Handling
Hazard Codes
Xn
Risk Statements
R36/37/38
Safety Statements
26-36/37/39-24/25
Safety

Hazard Codes:?HarmfulXn,Xi
Risk Statements:?36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin.?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:?26-36/37/39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S24/25: Avoid contact with skin and eyes.
RTECS:?XZ4810000
?Fluconazole (CAS NO.86386-73-4) is contraindicated in patients with:
Pregnancy
Known hypersensitivity to fluconazole or other azole antifungals
Concomitant use of cisapride, due to risk of serious cardiac arrhythmias (relative contraindication).

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 100mg/kg (100mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
dog LD50 oral > 300mg/kg (300mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
man TDLo oral 60mg/kg/3W-I (60mg/kg) ? Postgraduate Medical Journal. Vol. 67, Pg. 1084, 1991.
man TDLo oral 60mg/kg/3W-I (60mg/kg) ? Postgraduate Medical Journal. Vol. 67, Pg. 1084, 1991.
man TDLo oral 1040mg/kg/26W (1040mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Annals of Internal Medicine. Vol. 123, Pg. 354, 1995.
mouse LD50 intraperitoneal 1273mg/kg (1273mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
mouse LD50 intravenous > 200mg/kg (200mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
mouse LD50 oral 1408mg/kg (1408mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
mouse LD50 unreported > 1gm/kg (1000mg/kg) ? Antimicrobial Agents and Chemotherapy. Vol. 29, Pg. 161, 1986.
rat LD50 intraperitoneal > 941mg/kg (941mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
rat LD50 intravenous > 200mg/kg (200mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
rat LD50 oral 1271mg/kg (1271mg/kg) ? Drugs in Japan Vol. -, Pg. 983, 1990.
rat LD50 unreported > 1gm/kg (1000mg/kg) ? Antimicrobial Agents and Chemotherapy. Vol. 29, Pg. 161, 1986.
women TDLo multiple routes 426mg/kg/37D- (426mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Annals of Internal Medicine. Vol. 131, Pg. 797, 1999.
women TDLo oral 1456mg/kg/26W (1456mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Annals of Internal Medicine. Vol. 123, Pg. 354, 1995.

Formulations/Preparations
Trade names: Biozolene (Bioindustria), Diflucan (Mason, Pfizer, Roerig), Dimycon (Alkaloid), Elazor (Sigma-Tau), Flavizol (Gador), Fungata (Mack), Mutum (Raffo), Triflucan (Pfizer).
Fluconazole (DIFLUCAN) is marketed in the United States as tablets ... for oral administration, powder for oral suspension ... and iv solutions ... in saline and in dextrose solutions.
Oral: For suspension: 50 mg/5 mL Diflucan, (Pfizer), 200 mg/5 mL Diflucan, (Pfizer); Tablets: 50 mg* Diflucan (with povidone), (Pfizer), 100 mg Diflucan (with povidone), (Pfizer), 150 mg Diflucan (with povidone), (Pfizer), 200 mg Diflucan (with povidone), (Pfizer).
Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl fluconazole, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Specification

White to Off-White Solid
usageEng:Labelled Fluconazole (F421000). Used as an antifungal.
Safety Statements:26-36-36/37/39-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
24/25:Avoid contact with skin and eyes
Octanol/Water Partition Coefficient
log Kow = 0.25 at 25 deg C (est)
Report

"The efficacy of?Fluconazole (CAS NO.86386-73-4) in the treatment of onchomycosis (fungal infection of the nails) has not been demonstrated." I was treated with Apo-Fluconazole for onychomycosis, and it would seem that it works fine. Although I don't have any medical experience, I was wondering if someone would comment on this statement for me. Schnarr 01:48, 20 April 2006 (UTC)
I had phimosis and my doctor prscribed?it as one of the medicines... I am wondering if dealing with a possible fungal infection can stop the preputial ring from forming... please give me some feedback if you have had this problem and how it was solved.. Brian (brianmatambo@gmail.com)

Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:306.270786g/mol
  • Molecular Formula:C13H12F2N6O
  • XLogP3-AA:0.4
  • Exact Mass:306.104065
  • Monoisotopic Mass:306.104065
  • Complexity:358
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:81.6
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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